C614-5345 Screening compound: tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

C614-5345 Screening compound: tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
C614-5345 Screening compound: tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5345
tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C614-5345

Molecular Formula

C30H37ClN4O4 (C30 H37 ClN4 O4)

Compound Name

tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)c(cc1)ccc1-n1ncc(C(Nc(cc2)cc(Cl)c2OC)=O)c1C(CC1)CCN1C(OC(C)(C)C)=O

InChI

InChI=1S/C30H37ClN4O4/c1-19(2)20-7-10-23(11-8-20)35-27(21-13-15-34(16-14-21)29(37)39-30(3,4)5)24(18-32-35)28(36)33-22-9-12-26(38-6)25(31)17-22/h7-12,17-19,21H,13-16H2,1-6H3,(H,33,36)

InChI Key

HMDFXADCQVODIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.798

Distribution Coefficient, logD

7.792

Water Solubility, LogSw

-6.56

Polar Surface Area

65.865

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

References: we are preparing a list of scientific research reports with C614-5345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5345?
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What is the minimum amount of C614-5345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5345
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C614-5345 available by request